2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone

C17H22O2 — CID 79894178

IUPAC2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
SMILESO=C(CC1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H22O2/c18-16(15-6-2-1-3-7-15)12-14-8-11-19-17(13-14)9-4-5-10-17/h1-3,6-7,14H,4-5,8-13H2
InChIKeyOLXLNWBKQSMHQV-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.00
Rot. Bonds3

About 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone

2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone (PubChem CID 79894178) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
PubChem CID79894178
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone
SMILESO=C(CC1CCOC2(CCCC2)C1)c1ccccc1
InChIInChI=1S/C17H22O2/c18-16(15-6-2-1-3-7-15)12-14-8-11-19-17(13-14)9-4-5-10-17/h1-3,6-7,14H,4-5,8-13H2
InChIKeyOLXLNWBKQSMHQV-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-oxaspiro[3.5]nonan-8-yl)-1-phenylethanone
CID 79894255
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79894570
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 79899396
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone (CID 79894178) is 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone is O=C(CC1CCOC2(CCCC2)C1)c1ccccc1.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone?
The InChIKey is OLXLNWBKQSMHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c18-16(15-6-2-1-3-7-15)12-14-8-11-19-17(13-14)9-4-5-10-17/h1-3,6-7,14H,4-5,8-13H2.
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone?
2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone has a molecular weight of 258.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-yl)-1-phenylethanone is sourced from PubChem (CID 79894178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).